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Compound Detail

CHEMBL6070222

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CCN(CC)CCCN1/C(=C/c2cc(/C=C/c3cc4ccccc4[nH]3)[n+](C)c3ccccc23)Sc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6070222
Phase Preclinical
Structure Type MOL
InChI Key AESXLTQLYFOSCV-CKWSZQMZSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

545.8
MW (Da)
7.96
ALogP
3
HBA
1
HBD
26.1
PSA (Ų)
0.19
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H37N4S+
MW 545.78
Aromatic Rings 5
Heavy Atoms 40
NP-Likeness -0.73

Data from ChEMBL 36 via Core Engine